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Substance Name: Malonic acid
RN: 141-82-2
UNII: 9KX7ZMG0MK
InChIKey: OFOBLEOULBTSOW-UHFFFAOYSA-N
Classification Codes
- Mutation Data
- Skin / Eye Irritant
Molecular Formula
- C3-H4-O4
Molecular Weight
- 104.061
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Malonic acid
Synonyms
- 4-02-00-01874 (Beilstein Handbook Reference)
- AI3-15375
- BRN 1751370
- Carboxyacetic acid
- Dicarboxymethane
- EINECS 205-503-0
- Kyselina malonova
- Kyselina malonova [Czech]
- Malonic acid
- Methanedicarboxylic acid
- NSC 8124
- Propanedioic acid
- UNII-9KX7ZMG0MK
- USAF EK-695
Systematic Names
- Malonic acid
- Propanedioic acid
Registry Numbers
CAS Registry Number
- 141-82-2
FDA UNII
- 9KX7ZMG0MK
Other Registry Number
- 211863-95-5
Related Registry Numbers
- 141-95-7 (di-hydrochloride salt)
- 19455-76-6 (mono-calcium salt)
- 23549-97-5 (hydrochloride salt)
- 2757-18-8 (di-thallium salt)
- 926-71-6 (potassium salt)
System Generated Number
- 0000141822
Structure Descriptors
InChI
1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)InChIKey
OFOBLEOULBTSOW-UHFFFAOYSA-NSmiles
C(CC(O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | oral | 4gm/kg (4000mg/kg) | Biochemical Journal. Vol. 34, Pg. 1196, 1940. | |
| rabbit | LDLo | skin | 10gm/kg (10000mg/kg) | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 22-3/1971, | |
| rat | LC50 | inhalation | > 8900mg/m3/1H (8900mg/m3) | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 22-3/1971, | |
| rat | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4937, 1982. | |
| rat | LD50 | oral | 1310mg/kg (1310mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 22-3/1971, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 135 dec | deg C | EXP | |
| pKa Dissociation Constant | 2.85 | (none) | 25 | EXP |
| log P (octanol-water) | -0.81 | (none) | EXP | |
| Water Solubility | 7.63E+05 | mg/L | 25 | EXP |
| Vapor Pressure | 0.0015 | mm Hg | 25 | EXP |
| Henry's Law Constant | 2.69E-10 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.57E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.